Spektraris NMR
Philadelphinone
Common Name: Philadelphinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O6/c1-15(2)14-17(27)29-13-12-22(5)10-11-25(31-22)23(6)16(26)8-9-21(3,4)19(23)18(28)20-24(25,7)30-20/h14,18-20,28H,8-13H2,1-7H3/t18-,19+,20-,22-,23+,24-,25+/m0/s1
InChIKey: InChIKey=XNBKYMZRNPITHX-RNOXGXGDSA-N
Formula: C25H38O6
Molecular Weight: 434.566576
Exact Mass: 434.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iijima, T., Yaoita, Y., Kikuchi, M. Chem Pharm Bull (2003) 51, 545-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 216.5 |
| 2 (CH2) | 39.1 |
| 3 (CH2) | 39.2 |
| 4 (C) | 32.2 |
| 5 (CH) | 43.4 |
| 6 (CH) | 68.7 |
| 7 (CH) | 65.8 |
| 8 (C) | 64.6 |
| 9 (C) | 88.2 |
| 10 (C) | 54.3 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 38.6 |
| 13 (C) | 83.1 |
| 14 (CH2) | 40 |
| 15 (CH2) | 60.7 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 26.4 |
| 20 (CH3) | 17 |
| 15a (C) | 166.6 |
| 15b (CH) | 116 |
| 15c (C) | 156.6 |
| 15d (CH3) | 27.4 |
| 15ca (CH3) | 20.2 |
